Structure of PDB 3gr6 Chain A

Receptor sequence
>3gr6A (length=255) Species: 1280 (Staphylococcus aureus) [Search protein sequence]
LNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKL
LEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMED
LRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGE
FAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGV
GGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSG
FHAIK
3D structure
PDB3gr6 Structural insights into Staphylococcus aureus enoyl-ACP reductase (FabI), in complex with NADP and triclosan.
ChainA
Resolution2.28 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y147 Y157 M160 K164 K199
Catalytic site (residue number reindexed from 1) Y146 Y156 M159 K163 K198
Enzyme Commision number 1.3.1.39: enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAP A G13 I14 A15 S19 I20 R40 K41 S44 D66 V67 S93 I94 A95 T145 T146 Y147 K164 P192 I193 T195 S197 G12 I13 A14 S18 I19 R39 K40 S43 D65 V66 S92 I93 A94 T144 T145 Y146 K163 P191 I192 T194 S196 MOAD: Kd=18.6uM
BS02 TCL A A97 Y147 Y157 M160 S197 A198 V201 F204 A96 Y146 Y156 M159 S196 A197 V200 F203 MOAD: Kd=2.92nM
BindingDB: IC50=70nM,Ki=0.05nM
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0050661 NADP binding
GO:0141148 enoyl-[acyl-carrier-protein] reductase (NADPH) activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0030497 fatty acid elongation

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Molecular Function
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Biological Process
External links
PDB RCSB:3gr6, PDBe:3gr6, PDBj:3gr6
PDBsum3gr6
PubMed19768684
UniProtQ6GI75|FABI_STAAR Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Gene Name=fabI)

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